Hydrochloric Acid → [2-Chloro-4-(4-fluoro-phenylamino)-phenyl]-{5-[1-(2,3-dihydroxy-propyl)-1H-[1,2,3]triazol-4-yl]-2-methyl-phenyl}-methanone

HRID 174280Notes

Reaction equation

HRID 174280 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[Cl:1][c:2]1[c:3]([C:16](=[O:17])[c:18]2[c:19]([CH3:37])[cH:20][cH:21][c:22](-[c:24]3[n:25][n:26][n:27]([CH2:29][CH:30]4[O:31][C:32]([CH3:35])([CH3:36])[O:33][CH2:34]4)[cH:28]3)[cH:23]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([F:15])[cH:13][cH:14]2)[cH:7]1.[ClH:38].[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[OH2:45]>>[Cl:1][c:2]1[c:3]([C:16](=[O:17])[c:18]2[c:19]([CH3:37])[cH:20][cH:21][c:22](-[c:24]3[n:25][n:26][n:27]([CH2:29][CH:30]([OH:31])[CH2:34][OH:33])[cH:28]3)[cH:23]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([F:15])[cH:13][cH:14]2)[cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11685044HCID 11685044, compound

Product 1

HCID 11705693[2-Chloro-4-(4-fluoro-phenylamino)-phenyl]-{5-[1-(2,3-dihydroxy-propyl)-1H-[1,2,3]triazol-4-yl]-2-methyl-phenyl}-methanone

Sources & evidence

ORD record
ord-941de497ecc34cf9b7849bdc67cf5be5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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